N-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide

C16H17N5O3 — CID 86843294

IUPACN-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide
SMILESCc1[nH]nc2ncc(NC(=O)CCCNC(=O)c3ccco3)cc12
InChIInChI=1S/C16H17N5O3/c1-10-12-8-11(9-18-15(12)21-20-10)19-14(22)5-2-6-17-16(23)13-4-3-7-24-13/h3-4,7-9H,2,5-6H2,1H3,(H,17,23)(H,19,22)(H,18,20,21)
InChIKeyBBIOHSNQDJCLPE-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.01
Rot. Bonds6

About N-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide

N-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide (PubChem CID 86843294) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide
PubChem CID86843294
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC NameN-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide
SMILESCc1[nH]nc2ncc(NC(=O)CCCNC(=O)c3ccco3)cc12
InChIInChI=1S/C16H17N5O3/c1-10-12-8-11(9-18-15(12)21-20-10)19-14(22)5-2-6-17-16(23)13-4-3-7-24-13/h3-4,7-9H,2,5-6H2,1H3,(H,17,23)(H,19,22)(H,18,20,21)
InChIKeyBBIOHSNQDJCLPE-UHFFFAOYSA-N
XLogP2.01
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butyl]furan-2-carboxamide
CID 30267377
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-(propanoylamino)benzamide
CID 86843550
N-[4-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-4-oxobutyl]furan-2-carboxamide
CID 39761071
N-[3-oxo-3-[(5-propyl-1H-pyrazol-3-yl)amino]propyl]furan-2-carboxamide
CID 115619809
N-[4-oxo-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butyl]furan-2-carboxamide
CID 103722946
N-[4-[(8-chloroquinolin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide
CID 25335910
N-[4-oxo-4-(pyridin-3-ylmethylamino)butyl]furan-2-carboxamide
CID 35511874
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(2-phenoxyethoxy)acetamide
CID 86843517
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
N-[3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 31923776
4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
CID 90241214
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
CID 86843310

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide (CID 86843294) is N-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide is Cc1[nH]nc2ncc(NC(=O)CCCNC(=O)c3ccco3)cc12.
What is the InChIKey of N-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide?
The InChIKey is BBIOHSNQDJCLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-10-12-8-11(9-18-15(12)21-20-10)19-14(22)5-2-6-17-16(23)13-4-3-7-24-13/h3-4,7-9H,2,5-6H2,1H3,(H,17,23)(H,19,22)(H,18,20,21).
What are the key properties of N-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide?
N-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]-4-oxobutyl]furan-2-carboxamide is sourced from PubChem (CID 86843294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).